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Chemical Reaction Outcome Prediction

Cheminformatics
AI Chemical Graph Neural Network Research
Chemical Reaction Outcome Prediction
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CheminformaticsAI Chemical Graph Neural Network Research

Chemical Reaction Outcome Prediction

Interns will build graph neural network models that predict reaction products and selectivity from reactant molecular graphs and reaction conditions. This involves working with reaction databases, implementing reaction-specific GNN architectures, and evaluating prediction performance on synthetic chemistry workflows.

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